SCHEMBL7469741

SCHEMBL7469741

O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(CCN2CCOCC2)C[C@H]1Cc1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7580473 0.99 TACR1 (0.53) TACR1
SCHEMBL7463549 0.91 TACR1 (0.51) TACR1
Hydrochloric Acid SCHEMBL7461711 0.91 TACR1 (0.52) TACR1
Hydrochloric Acid SCHEMBL7463514 0.91 TACR1 (0.50) TACR1
Hydrochloric Acid SCHEMBL7461700 0.91 TACR1 (0.52) TACR1
Hydrochloric Acid SCHEMBL7460899 0.90 TACR1 (0.46) TACR1
Hydrochloric Acid SCHEMBL7472781 0.90 TACR1 (0.46) TACR1
Hydrochloric Acid SCHEMBL7465655 0.90 TACR1 (0.51) TACR1
Hydrochloric Acid SCHEMBL7472774 0.89 TACR1 (0.47) TACR1
Hydrochloric Acid SCHEMBL5370028 0.89 TACR1 (0.46) TACR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873320-B1 PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2002-06-12 EP disclosed